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1234615-74-7 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-fluoro-, methyl ester
CAS No: 1234615-74-7 Catalog No: AG000KLV MDL No:MFCD17214407
Product Description
Catalog Number:
AG000KLV
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-fluoro-, methyl ester
CAS Number:
1234615-74-7
Molecular Formula:
C9H7FN2O2
Molecular Weight:
194.1625
MDL Number:
MFCD17214407
IUPAC Name:
methyl 4-fluoro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
InChI:
InChI=1S/C9H7FN2O2/c1-14-9(13)6-4-12-8-5(7(6)10)2-3-11-8/h2-4H,1H3,(H,11,12)
InChI Key:
NYBFZFSVBNMCRD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1F)cc[nH]2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.165g/mol
Monoisotopic Mass:
194.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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